#DFF:MSD
#Model Structure Data File    Energy = 171.808469
PBC:   24.087057   24.087057   24.087057   90.000000   90.000000   90.000000  
90
1      C0     6    c1           c_4   -0.086000  -5.386600    -5.384442    -6.091023     1    UNK       1
2      C1     6    c1           c_4   -0.086000  -4.303379    -6.134652    -5.190427     1    UNK       6
3      C2     6    c1           c_4   -0.086000  -3.330626    -4.974964    -4.703562     1    UNK       5
4      C3     6    c1           c_4   -0.086000  -4.122867    -3.933320    -3.864028     1    UNK       4
5      C4     6    c1           c_4   -0.086000  -5.626786    -4.211997    -3.829633     1    UNK       3
6      C5     6    c1           c_4   -0.086000  -6.119577    -4.284706    -5.276110     1    UNK       2
7      H6     1    h2           h_1    0.043000  -6.144901    -6.087907    -6.486843     1    UNK       1
8      H7     1    h2           h_1    0.043000  -4.854731    -4.882826    -6.940917     1    UNK       1
9      H8     1    h2           h_1    0.043000  -3.800113    -6.976872    -5.699270     1    UNK       6
10     H9     1    h2           h_1    0.043000  -4.789579    -6.642295    -4.318439     1    UNK       6
11     H10    1    h2           h_1    0.043000  -2.928356    -4.451603    -5.592575     1    UNK       5
12     H11    1    h2           h_1    0.043000  -2.485686    -5.351551    -4.082805     1    UNK       5
13     H12    1    h2           h_1    0.043000  -3.944227    -2.902823    -4.253868     1    UNK       4
14     H13    1    h2           h_1    0.043000  -3.789798    -4.005116    -2.809713     1    UNK       4
15     H14    1    h2           h_1    0.043000  -6.126996    -3.367521    -3.327178     1    UNK       3
16     H15    1    h2           h_1    0.043000  -5.878571    -5.132578    -3.249729     1    UNK       3
17     H16    1    h2           h_1    0.043000  -5.987946    -3.287522    -5.756974     1    UNK       2
18     H17    1    h2           h_1    0.043000  -7.193754    -4.541297    -5.208356     1    UNK       2
19     C0     6    c1           c_4   -0.086000   7.338126    -3.674033    -5.788568     2    UNK       7
20     C1     6    c1           c_4   -0.086000   7.307964    -5.207892    -6.228276     2    UNK      12
21     C2     6    c1           c_4   -0.086000   8.166173    -5.949709    -5.114138     2    UNK      11
22     C3     6    c1           c_4   -0.086000   7.504869    -5.760764    -3.719616     2    UNK      10
23     C4     6    c1           c_4   -0.086000   6.297226    -4.822092    -3.752781     2    UNK       9
24     C5     6    c1           c_4   -0.086000   6.756156    -3.495116    -4.360193     2    UNK       8
25     H6     1    h2           h_1    0.043000   6.754845    -3.039392    -6.483970     2    UNK       7
26     H7     1    h2           h_1    0.043000   8.405601    -3.332141    -5.768076     2    UNK       7
27     H8     1    h2           h_1    0.043000   7.644578    -5.385691    -7.265854     2    UNK      12
28     H9     1    h2           h_1    0.043000   6.258057    -5.597494    -6.250863     2    UNK      12
29     H10    1    h2           h_1    0.043000   9.171392    -5.487238    -5.072987     2    UNK      11
30     H11    1    h2           h_1    0.043000   8.269786    -7.042494    -5.304511     2    UNK      11
31     H12    1    h2           h_1    0.043000   8.252230    -5.379814    -2.983267     2    UNK      10
32     H13    1    h2           h_1    0.043000   7.103981    -6.738169    -3.385407     2    UNK      10
33     H14    1    h2           h_1    0.043000   5.966816    -4.641597    -2.716419     2    UNK       9
34     H15    1    h2           h_1    0.043000   5.428556    -5.260857    -4.300724     2    UNK       9
35     H16    1    h2           h_1    0.043000   7.510355    -3.026800    -3.685792     2    UNK       8
36     H17    1    h2           h_1    0.043000   5.846751    -2.867379    -4.416896     2    UNK       8
37     C0     6    c1           c_4   -0.086000   7.722372    -3.476314     7.674049     3    UNK      13
38     C1     6    c1           c_4   -0.086000   6.196184    -3.789775     7.328677     3    UNK      18
39     C2     6    c1           c_4   -0.086000   6.271115    -4.754087     6.066735     3    UNK      17
40     C3     6    c1           c_4   -0.086000   7.034769    -6.056697     6.436837     3    UNK      16
41     C4     6    c1           c_4   -0.086000   7.619353    -6.026328     7.850011     3    UNK      15
42     C5     6    c1           c_4   -0.086000   8.506642    -4.785301     7.959699     3    UNK      14
43     H6     1    h2           h_1    0.043000   7.812512    -2.816660     8.559169     3    UNK      13
44     H7     1    h2           h_1    0.043000   8.192814    -2.983043     6.784030     3    UNK      13
45     H8     1    h2           h_1    0.043000   5.572523    -2.888540     7.185479     3    UNK      18
46     H9     1    h2           h_1    0.043000   5.686753    -4.294818     8.188864     3    UNK      18
47     H10    1    h2           h_1    0.043000   6.842773    -4.247284     5.265371     3    UNK      17
48     H11    1    h2           h_1    0.043000   5.265811    -5.038734     5.679968     3    UNK      17
49     H12    1    h2           h_1    0.043000   7.850859    -6.251682     5.700701     3    UNK      16
50     H13    1    h2           h_1    0.043000   6.314056    -6.898268     6.438386     3    UNK      16
51     H14    1    h2           h_1    0.043000   8.246297    -6.922890     7.987600     3    UNK      15
52     H15    1    h2           h_1    0.043000   6.830973    -6.054509     8.640477     3    UNK      15
53     H16    1    h2           h_1    0.043000   9.366281    -4.888256     7.257221     3    UNK      14
54     H17    1    h2           h_1    0.043000   8.864403    -4.770627     9.006594     3    UNK      14
55     C0     6    c1           c_4   -0.086000  -4.586815     6.410339    -6.062479     4    UNK      19
56     C1     6    c1           c_4   -0.086000  -4.329818     5.870315    -4.582796     4    UNK      24
57     C2     6    c1           c_4   -0.086000  -3.714058     7.118298    -3.813620     4    UNK      23
58     C3     6    c1           c_4   -0.086000  -4.731963     8.293550    -3.805326     4    UNK      22
59     C4     6    c1           c_4   -0.086000  -5.986473     8.004014    -4.631653     4    UNK      21
60     C5     6    c1           c_4   -0.086000  -5.536706     7.638395    -6.047383     4    UNK      20
61     H6     1    h2           h_1    0.043000  -5.036204     5.630972    -6.708365     4    UNK      19
62     H7     1    h2           h_1    0.043000  -3.606530     6.741567    -6.493975     4    UNK      19
63     H8     1    h2           h_1    0.043000  -3.716866     4.951664    -4.538663     4    UNK      24
64     H9     1    h2           h_1    0.043000  -5.287209     5.538275    -4.105689     4    UNK      24
65     H10    1    h2           h_1    0.043000  -2.811912     7.460909    -4.356489     4    UNK      23
66     H11    1    h2           h_1    0.043000  -3.443757     6.885201    -2.758252     4    UNK      23
67     H12    1    h2           h_1    0.043000  -4.249149     9.228726    -4.176955     4    UNK      22
68     H13    1    h2           h_1    0.043000  -5.094110     8.437607    -2.768085     4    UNK      22
69     H14    1    h2           h_1    0.043000  -6.593066     8.923531    -4.679404     4    UNK      21
70     H15    1    h2           h_1    0.043000  -6.627995     7.212930    -4.173535     4    UNK      21
71     H16    1    h2           h_1    0.043000  -5.041444     8.522388    -6.512458     4    UNK      20
72     H17    1    h2           h_1    0.043000  -6.464205     7.384136    -6.594424     4    UNK      20
73     C0     6    c1           c_4   -0.086000  -4.903418     8.676605     6.847486     5    UNK      25
74     C1     6    c1           c_4   -0.086000  -6.174602     7.731911     7.043919     5    UNK      30
75     C2     6    c1           c_4   -0.086000  -5.725597     6.338911     6.422792     5    UNK      29
76     C3     6    c1           c_4   -0.086000  -4.496778     5.782618     7.196037     5    UNK      28
77     C4     6    c1           c_4   -0.086000  -3.963378     6.754521     8.250091     5    UNK      27
78     C5     6    c1           c_4   -0.086000  -3.653901     8.077972     7.548228     5    UNK      26
79     H6     1    h2           h_1    0.043000  -5.081048     9.689458     7.258777     5    UNK      25
80     H7     1    h2           h_1    0.043000  -4.680038     8.746563     5.751099     5    UNK      25
81     H8     1    h2           h_1    0.043000  -7.110986     8.144102     6.625707     5    UNK      30
82     H9     1    h2           h_1    0.043000  -6.428582     7.623132     8.129357     5    UNK      30
83     H10    1    h2           h_1    0.043000  -5.414440     6.501500     5.372677     5    UNK      29
84     H11    1    h2           h_1    0.043000  -6.532546     5.571414     6.454108     5    UNK      29
85     H12    1    h2           h_1    0.043000  -3.677690     5.517646     6.485616     5    UNK      28
86     H13    1    h2           h_1    0.043000  -4.814851     4.885130     7.762653     5    UNK      28
87     H14    1    h2           h_1    0.043000  -3.026054     6.344041     8.660819     5    UNK      27
88     H15    1    h2           h_1    0.043000  -4.666717     6.884401     9.107817     5    UNK      27
89     H16    1    h2           h_1    0.043000  -2.831581     7.917416     6.812723     5    UNK      26
90     H17    1    h2           h_1    0.043000  -3.324989     8.766339     8.349593     5    UNK      26
90
1      2      1     
2      3      1     
3      4      1     
4      5      1     
5      6      1     
6      1      1     
1      7      1     
1      8      1     
2      9      1     
2      10     1     
3      11     1     
3      12     1     
4      13     1     
4      14     1     
5      15     1     
5      16     1     
6      17     1     
6      18     1     
19     20     1     
20     21     1     
21     22     1     
22     23     1     
23     24     1     
24     19     1     
19     25     1     
19     26     1     
20     27     1     
20     28     1     
21     29     1     
21     30     1     
22     31     1     
22     32     1     
23     33     1     
23     34     1     
24     35     1     
24     36     1     
37     38     1     
38     39     1     
39     40     1     
40     41     1     
41     42     1     
42     37     1     
37     43     1     
37     44     1     
38     45     1     
38     46     1     
39     47     1     
39     48     1     
40     49     1     
40     50     1     
41     51     1     
41     52     1     
42     53     1     
42     54     1     
55     56     1     
56     57     1     
57     58     1     
58     59     1     
59     60     1     
60     55     1     
55     61     1     
55     62     1     
56     63     1     
56     64     1     
57     65     1     
57     66     1     
58     67     1     
58     68     1     
59     69     1     
59     70     1     
60     71     1     
60     72     1     
73     74     1     
74     75     1     
75     76     1     
76     77     1     
77     78     1     
78     73     1     
73     79     1     
73     80     1     
74     81     1     
74     82     1     
75     83     1     
75     84     1     
76     85     1     
76     86     1     
77     87     1     
77     88     1     
78     89     1     
78     90     1     
